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Ab initio studies of hydrogen-bonded complexes between formic acid or methylacetate and HF or HCl

✍ Scribed by Z. Latajka; H. Ratajczak; Th. Zeegers-Huyskens


Book ID
119117047
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
555 KB
Volume
164
Category
Article
ISSN
0166-1280

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An ab initio SCF-MO study of the weakly
✍ Alan Hinchliffe πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science βš– 280 KB

Large-scale gaussian orbital SCF-MO results are reported for the title molecules. R,(X... H) and De(X...H) values are given, and in either case the complexes OC...HF and DC...HCl are more stable than the corresponding CO...HX complexes. The changes on electronic distribution on complex formation are